3,5-difluoro-4-(methylamino)-N-pentan-3-ylbenzamide

C13H18F2N2O — CID 55157890

IUPAC3,5-difluoro-4-(methylamino)-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1cc(F)c(NC)c(F)c1
InChIInChI=1S/C13H18F2N2O/c1-4-9(5-2)17-13(18)8-6-10(14)12(16-3)11(15)7-8/h6-7,9,16H,4-5H2,1-3H3,(H,17,18)
InChIKeyXXCQLCZLGAXJIM-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.92
Rot. Bonds5

About 3,5-difluoro-4-(methylamino)-N-pentan-3-ylbenzamide

3,5-difluoro-4-(methylamino)-N-pentan-3-ylbenzamide (PubChem CID 55157890) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 3,5-difluoro-4-(methylamino)-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name3,5-difluoro-4-(methylamino)-N-pentan-3-ylbenzamide
PubChem CID55157890
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name3,5-difluoro-4-(methylamino)-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1cc(F)c(NC)c(F)c1
InChIInChI=1S/C13H18F2N2O/c1-4-9(5-2)17-13(18)8-6-10(14)12(16-3)11(15)7-8/h6-7,9,16H,4-5H2,1-3H3,(H,17,18)
InChIKeyXXCQLCZLGAXJIM-UHFFFAOYSA-N
XLogP2.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3,5-difluoro-N-pentan-3-ylbenzamide
CID 63187133
3,5-difluoro-4-(methylamino)-N-octan-4-ylbenzamide
CID 106027843
N-(1-bromobutan-2-yl)-3,4,5-trifluorobenzamide
CID 114307677
N-(1-cyanobutan-2-yl)-3,4,5-trifluorobenzamide
CID 63185622
3,5-difluoro-4-(methylamino)-N-pentylbenzamide
CID 63183966
N-(3-ethylpentan-3-yl)-3,5-difluoro-4-(methylamino)benzamide
CID 65042721
N-(3,3-dimethylbutan-2-yl)-3,5-difluoro-4-(methylamino)benzamide
CID 104829894
3-amino-5-fluoro-N-hexan-3-yl-4-methylbenzamide
CID 62092742
3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920331
3,5-difluoro-4-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 63184958
N-(1-chlorobutan-2-yl)-3,4-difluorobenzamide
CID 114294264
4-but-1-en-2-yl-2,6-difluoro-N-methylaniline
CID 170343680

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(methylamino)-N-pentan-3-ylbenzamide?
The IUPAC name of 3,5-difluoro-4-(methylamino)-N-pentan-3-ylbenzamide (CID 55157890) is 3,5-difluoro-4-(methylamino)-N-pentan-3-ylbenzamide.
What is the SMILES notation for 3,5-difluoro-4-(methylamino)-N-pentan-3-ylbenzamide?
The canonical SMILES for 3,5-difluoro-4-(methylamino)-N-pentan-3-ylbenzamide is CCC(CC)NC(=O)c1cc(F)c(NC)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(methylamino)-N-pentan-3-ylbenzamide?
The InChIKey is XXCQLCZLGAXJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-4-9(5-2)17-13(18)8-6-10(14)12(16-3)11(15)7-8/h6-7,9,16H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 3,5-difluoro-4-(methylamino)-N-pentan-3-ylbenzamide?
3,5-difluoro-4-(methylamino)-N-pentan-3-ylbenzamide has a molecular weight of 256.30 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(methylamino)-N-pentan-3-ylbenzamide is sourced from PubChem (CID 55157890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).